Tuning color through sulfur and fluorine substitutions in the defect tin(II, IV) niobate pyrochlores

Giampaoli, Gabriella; Li, Jun; Hermann, Raphaël P.; Stalick, Judith K.; Subramanian, M. A.

doi:10.1016/j.solidstatesciences.2018.05.001

Cited by 11 publications

(16 citation statements)

References 24 publications

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“…Data for analysis in Table 1 (Columns 2-9) are from the literature. 17,[63][64][65][66][67][68][69][70] The dataset has a coverage of a wide range of pyrochlores, including a large variety of ternary compounds and mixed ones with substitutions on multiple sites.…”

Section: Datasetmentioning

confidence: 99%

Machine learning the lattice constant of cubic pyrochlore compounds

Zhang

2021

Int J Applied Ceramic Tech

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Pyrochlores, with a general formula A 2 B 2 X 7 , are promising candidates in many potential applications due to their wide varieties of physical properties. Different combinations of cations and anions in the crystal structure enable the tailoring of their properties and functionalities. For cubic pyrochlores, the lattice constant, a, is an integrated result of stoichiometry, ionic radii, and electronegativities of alloying elements.It also has significant impacts on stabilities, electronic structures, ionic conductivities, and thus performance of materials. Here, we develop the Gaussian process regression model to shed light on the relationship among ionic radii, electronegativities, and lattice constants for cubic pyrochlores. The dataset includes ternary pyrochlores and mixed pyrochlores with co-doping and multi-doping situations. One hundred and thirty-nine samples with lattice constants between 9.287 and 11.150 Å are examined.The model is highly stable and accurate that contributes to efficient and low-cost lattice constant estimations.

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Section: Datasetmentioning

confidence: 99%

Machine learning the lattice constant of cubic pyrochlore compounds

Zhang

2021

Int J Applied Ceramic Tech

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“…Although the bayferrox orange pigment is environmentally friendly, the vividness of this pigment is not sufficient. Therefore, development of environmentally friendly inorganic orange pigments is required, and several studies have been reported [ 2 , 3 , 4 , 5 , 6 , 7 , 8 , 9 , 10 , 11 , 12 , 13 , 14 , 15 , 16 , 17 ]. Some compounds, such as La 2 Ce 2− x W 0.5 x Fe 0.5 x O 7+ δ [ 14 ], Sr 4 Mn 2 Cu 0.5 Zn 0.5 O 9 [ 15 ], and SrBaCe 0.6 Tb 0.4 O 4 [ 3 ], for example, have been proposed and exhibit an orange color.…”

Section: Introductionmentioning

confidence: 99%

Novel Orange Color Pigments Based on La3LiMnO7

et al. 2021

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La3LiMn1−xTixO7 (0 ≤ x ≤ 0.05) samples were synthesized by a solid-state reaction method, and a single-phase form was observed for the samples in the range of x ≤ 0.03. Crystal structure, optical properties, and color of the La3LiMn1−xTixO7 (0 ≤ x ≤ 0.03) samples were characterized. Strong optical absorption was observed at a wavelength between 400 and 550 nm, and a shoulder absorption peak also appeared around 690 nm in all samples; orange colors were also exhibited. Among the samples synthesized, the most brilliant orange color was obtained at La3LiMn0.97Ti0.03O7. The redness (a*) and yellowness (b*) values of this pigment were higher than those of the commercially available orange pigments. Therefore, the orange color of this pigment is brighter than those of the commercial products. Since the La3LiMn0.97Ti0.03O pigment is composed of non-toxic elements, it could be a new environmentally friendly inorganic orange pigment.

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“…6 For instance, the sulfur concentration in pyrochlore oxysulfides cannot exceed x = 1 in A 2 B 2 O 7Àx S x (i.e. Cd 2 Nb 2 O 6 S or Sn 2 Nb 2 O 6 S) 7,8 due to the O/S size mismatch that drives the O/ S ordering. In such cases, the large 8b anionic site, located in the center of the pyrochlore channel, is ideal for a large anion such as S 2À in contrast to the 48f site.…”

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confidence: 99%

“…Similarly, in pyrochlore oxyfluorides, although this size mismatch issue is limited, most of them do not exceed the x = 1 fluorine content (AA 0 B 2 O 6 F, (Li, La, &) 2 B 2 O 6 F or Sn 2 NbTiO 6 F with A = alkali, A 0 = alkali earth, and B = Nb 5+ and Ta 5+ ). 1,[8][9][10] Therefore, fluorine is often located exclusively in the 8b site and hence the transition metal remains in undistorted monoanionic BO 6 octahedra. So far, only a few pyrochlore-like compounds, such as Pb 2 Ti 2 O 5.4 F 1.2 , can provide a mixed anion environment for both A and B cations.…”

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confidence: 99%

“…The full occupancy of the 8b site by F À is very often observed in oxyfluoride pyrochlores A 2 B 2 O 6 F. 1,[8][9][10] However, the presence of mixed O/F environments around the transition metals has been reported in only a few pyrochlore-like materials such as CsNb 2 O 5 F, CsMnMoO 3 F 3 and Pb 2 Ti 2 O 5.4 F 1.2 . 11,16,17 In CsNb 2 O 5 F and CsMnMoO 3 F 3 (S.G. = Fd% 3m), the large Cs + ion can only be accommodated in the center of the pyrochlore channel (i.e.…”

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confidence: 99%

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